N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

C25H20N4O4 — CID 52690252

IUPACN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1cccc(Oc2ncccc2NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1C
InChIInChI=1S/C25H20N4O4/c1-15-7-5-11-19(16(15)2)33-24-18(9-6-12-26-24)28-21(30)13-29-14-27-22-17-8-3-4-10-20(17)32-23(22)25(29)31/h3-12,14H,13H2,1-2H3,(H,28,30)
InChIKeyDQQLHJQFNQEULB-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.59
Rot. Bonds5

About N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 52690252) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID52690252
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1cccc(Oc2ncccc2NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1C
InChIInChI=1S/C25H20N4O4/c1-15-7-5-11-19(16(15)2)33-24-18(9-6-12-26-24)28-21(30)13-29-14-27-22-17-8-3-4-10-20(17)32-23(22)25(29)31/h3-12,14H,13H2,1-2H3,(H,28,30)
InChIKeyDQQLHJQFNQEULB-UHFFFAOYSA-N
XLogP4.59
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide with MolForge

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Related Compounds

N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 60524613
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
N-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55385210
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
CID 34597443
N-cyclopentyl-2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 28542618

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 52690252) is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is Cc1cccc(Oc2ncccc2NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is DQQLHJQFNQEULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-15-7-5-11-19(16(15)2)33-24-18(9-6-12-26-24)28-21(30)13-29-14-27-22-17-8-3-4-10-20(17)32-23(22)25(29)31/h3-12,14H,13H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 440.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 52690252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).